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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

omega-muricholic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C24H40O5

inchi

  • InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22-,23-,24-/m1/s1

inchikey

  • DKPMWHFRUGMUKF-NTPBNISXSA-N

mass

  • 408.572

monoisotopicmass

  • 408.28757

smiles

  • C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@H]([C@@H]2O)O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC(O)=O)C)[H])[H])[H])C)[H])O

subset

  • 3_STAR

synonym EXACT

  • 3alpha,6alpha,7beta-trihydroxy-5beta-cholan-24-oic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:81299

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